MolNFT v1 · #66133 · protein
Structure of crga, a lysr-type transcriptional regulator from neisseria meningitidis.
3HHG · Transcriptional regulator, lysr family: “Structure of crga, a lysr-type transcriptional regulator from neisseria meningitidis.”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #66133 on GenesisL1: 3D structure…
- PDB
- 3HHG
- Type
- protein
- Length
- 2,354 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, lysr family
- UniProt
- Q9JXW7
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 5 distinct chains · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Transcriptional regulator, lysr family | protein | 293 | 44% helix, 22% strand | Q9JXW7 |
| B | Transcriptional regulator, lysr family | protein | 295 | 44% helix, 22% strand | Q9JXW7 |
| C, D | Transcriptional regulator, lysr family | protein | 294 | 42% helix, 21% strand | Q9JXW7 |
| E | Transcriptional regulator, lysr family | protein | 297 | 42% helix, 21% strand | Q9JXW7 |
| G, H | Transcriptional regulator, lysr family | protein | 294 | 45% helix, 18% strand | Q9JXW7 |
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 930 | 0.78 | 0.80 | 78 | empty |
| 2 | 817 | 0.76 | 0.80 | 75 | empty |
| 3 | 809 | 0.76 | 0.80 | 64 | empty |
| 4 | 934 | 0.75 | 0.78 | 75 | empty |
| 5 | 823 | 0.75 | 0.79 | 71 | empty |
Interfaces
8 interfaces between chains.
- D–E · 1420 Ų buried · 18 hydrogen bonds · protein-protein
- F–G · 1401 Ų buried · 15 hydrogen bonds · protein-protein
- A–H · 1379 Ų buried · 24 hydrogen bonds · protein-protein
- E–F · 1370 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 1336 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3HHG · Structure of CrgA, a LysR-type transcriptional regulator from Neisseria meningitidis. · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9JXW7
- Elsewhere: RCSB PDB 3HHG · PDBe 3HHG · UniProt Q9JXW7
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